6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide

C13H20N2O2S — CID 106180563

IUPAC6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
SMILESCC(C)=CCNS(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C13H20N2O2S/c1-9(2)7-8-15-18(16,17)13-11(4)10(3)5-6-12(13)14/h5-7,15H,8,14H2,1-4H3
InChIKeyVCWHWQQQGHRBOY-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.13
Rot. Bonds4

About 6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide

6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide (PubChem CID 106180563) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
PubChem CID106180563
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
SMILESCC(C)=CCNS(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C13H20N2O2S/c1-9(2)7-8-15-18(16,17)13-11(4)10(3)5-6-12(13)14/h5-7,15H,8,14H2,1-4H3
InChIKeyVCWHWQQQGHRBOY-UHFFFAOYSA-N
XLogP2.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide
CID 93081246
6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 66177998
5-amino-2-fluoro-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180759
6-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 65309956
6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949733
6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257804
6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-dimethylbenzenesulfonamide
CID 105413590
6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894668
6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide
CID 62844834
6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43258845
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide
CID 107213458
6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dimethylbenzenesulfonamide
CID 106033795

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide?
The IUPAC name of 6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide (CID 106180563) is 6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide.
What is the SMILES notation for 6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide?
The canonical SMILES for 6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide is CC(C)=CCNS(=O)(=O)c1c(N)ccc(C)c1C.
What is the InChIKey of 6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide?
The InChIKey is VCWHWQQQGHRBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(2)7-8-15-18(16,17)13-11(4)10(3)5-6-12(13)14/h5-7,15H,8,14H2,1-4H3.
What are the key properties of 6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide?
6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide is sourced from PubChem (CID 106180563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).